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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
1,2-dioctadecanoyl-3-(9Z-octadecenoyl)-sn-glycerol
889.50
24.3
0
6
78.9
55
1-octadecanoyl-2,3-di-(9Z-octadecenoyl)-sn-glycerol
887.40
23.3
0
6
78.9
54
Solbar
412.70
8.3
1
1
20.23
5
(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-ol
152.23
2.1
1
1
20.23
1
CID 160594
210.18
1.1
3
5
86.99
3
Anonaine
265.31
2.8
1
3
30.49
0
Integerrimide B
766.90
3.4
8
8
230.93
8
methyl (1S,2S,5E,7E)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
404.50
4.1
0
6
78.9
5
Oroselol
244.24
2.1
1
4
63.58
1
3-Hydroxystigmast-5-en-7-one
428.70
8.3
1
2
37.3
6
8-Hydroxyhexadecanedioic acid
302.41
3.5
3
5
94.83
15
9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid
328.40
2.8
4
5
97.99
14
9R-hydroxy-10E,12Z-octadecadienoic acid
296.40
5.3
2
3
57.53
14
(1S,2S)-4-oxo-5-pentyl-2-cyclopentene-1-octanoic acid
294.40
5.4
1
3
54.37
12
4-Hydroxybenzyl isothiocyanate
165.21
2.8
1
3
64.68
2
{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(icosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
1062.10
3.9
9
22
418.36
38
Adonixanthin
582.90
10.6
2
3
57.53
10
Fritschiellaxanthin/(3S,3'R,6'R)-4-Ketolutein
582.90
10.7
2
3
57.53
10
Eschscholtzxanthone
564.80
10.6
1
2
37.3
9
19'-Hexanoyloxyisomytiloxanthin
713.00
10.4
2
6
100.9
18
Pectenolone
580.80
10.3
2
3
57.53
10
Pectenol A/(Pectenol)
582.90
9.5
3
3
60.69
10
Amarouciaxanthin B/Sidnyaxanthin
596.80
8.7
2
4
74.6
11
(12E,14E,16Z,18E,20E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,12,14,16,18,20,30-heptaene
549.00
16.7
0
0
0
22
15-cis-zeta-Carotene
540.90
15.5
0
0
0
18
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